Variation in (Hyper)Polarizability of H<sub>2</sub> Molecule in Bond Dissociation Processes Under Spatial Confinement
We report the results of calculations of the linear polarizability and second hyperpolarizability of the H<sub>2</sub> molecule in the bond dissociation process. These calculations were performed for isolated molecules, as well as molecules under spatial confinement. The spatial confinem...
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MDPI AG
2024-12-01
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| Online Access: | https://www.mdpi.com/1420-3049/30/1/9 |
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| author | Paweł Lipkowski Wojciech Bartkowiak |
| author_facet | Paweł Lipkowski Wojciech Bartkowiak |
| author_sort | Paweł Lipkowski |
| collection | DOAJ |
| description | We report the results of calculations of the linear polarizability and second hyperpolarizability of the H<sub>2</sub> molecule in the bond dissociation process. These calculations were performed for isolated molecules, as well as molecules under spatial confinement. The spatial confinement was modeled using the external two-dimensional (cylindrical) harmonic oscillator potential. In contrast to the recently investigated polar LiH molecule, it was shown that the spatial confinement significantly diminishes the linear and nonlinear response of H<sub>2</sub> for each interatomic (H-H) distance. |
| format | Article |
| id | doaj-art-f07df38553764bea949a7dfbf4a19c24 |
| institution | Kabale University |
| issn | 1420-3049 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | MDPI AG |
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| series | Molecules |
| spelling | doaj-art-f07df38553764bea949a7dfbf4a19c242025-01-10T13:18:34ZengMDPI AGMolecules1420-30492024-12-01301910.3390/molecules30010009Variation in (Hyper)Polarizability of H<sub>2</sub> Molecule in Bond Dissociation Processes Under Spatial ConfinementPaweł Lipkowski0Wojciech Bartkowiak1Department of Physical and Quantum Chemistry, Wrocław University of Science and Technology, 50-370 Wrocław, PolandDepartment of Physical and Quantum Chemistry, Wrocław University of Science and Technology, 50-370 Wrocław, PolandWe report the results of calculations of the linear polarizability and second hyperpolarizability of the H<sub>2</sub> molecule in the bond dissociation process. These calculations were performed for isolated molecules, as well as molecules under spatial confinement. The spatial confinement was modeled using the external two-dimensional (cylindrical) harmonic oscillator potential. In contrast to the recently investigated polar LiH molecule, it was shown that the spatial confinement significantly diminishes the linear and nonlinear response of H<sub>2</sub> for each interatomic (H-H) distance.https://www.mdpi.com/1420-3049/30/1/9spatial confinement(hyper)polarizabilityhydrogen moleculebond dissociation |
| spellingShingle | Paweł Lipkowski Wojciech Bartkowiak Variation in (Hyper)Polarizability of H<sub>2</sub> Molecule in Bond Dissociation Processes Under Spatial Confinement Molecules spatial confinement (hyper)polarizability hydrogen molecule bond dissociation |
| title | Variation in (Hyper)Polarizability of H<sub>2</sub> Molecule in Bond Dissociation Processes Under Spatial Confinement |
| title_full | Variation in (Hyper)Polarizability of H<sub>2</sub> Molecule in Bond Dissociation Processes Under Spatial Confinement |
| title_fullStr | Variation in (Hyper)Polarizability of H<sub>2</sub> Molecule in Bond Dissociation Processes Under Spatial Confinement |
| title_full_unstemmed | Variation in (Hyper)Polarizability of H<sub>2</sub> Molecule in Bond Dissociation Processes Under Spatial Confinement |
| title_short | Variation in (Hyper)Polarizability of H<sub>2</sub> Molecule in Bond Dissociation Processes Under Spatial Confinement |
| title_sort | variation in hyper polarizability of h sub 2 sub molecule in bond dissociation processes under spatial confinement |
| topic | spatial confinement (hyper)polarizability hydrogen molecule bond dissociation |
| url | https://www.mdpi.com/1420-3049/30/1/9 |
| work_keys_str_mv | AT pawełlipkowski variationinhyperpolarizabilityofhsub2submoleculeinbonddissociationprocessesunderspatialconfinement AT wojciechbartkowiak variationinhyperpolarizabilityofhsub2submoleculeinbonddissociationprocessesunderspatialconfinement |